dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate

C18H20O5 — CID 134866807

IUPACdimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate
SMILESCOC(=O)/C1=C(\C(=O)OC)C2C=C/C(=C3\CCCC\C3=C\C1)O2
InChIInChI=1S/C18H20O5/c1-21-17(19)13-8-7-11-5-3-4-6-12(11)14-9-10-15(23-14)16(13)18(20)22-2/h7,9-10,15H,3-6,8H2,1-2H3/b11-7-,14-12-,16-13-
InChIKeyWGAKKOKOLVOMCS-STHVMBQRSA-N
MW316.35 g/mol
LogP2.74
Rot. Bonds2

About dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate

dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate (PubChem CID 134866807) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate
PubChem CID134866807
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Namedimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate
SMILESCOC(=O)/C1=C(\C(=O)OC)C2C=C/C(=C3\CCCC\C3=C\C1)O2
InChIInChI=1S/C18H20O5/c1-21-17(19)13-8-7-11-5-3-4-6-12(11)14-9-10-15(23-14)16(13)18(20)22-2/h7,9-10,15H,3-6,8H2,1-2H3/b11-7-,14-12-,16-13-
InChIKeyWGAKKOKOLVOMCS-STHVMBQRSA-N
XLogP2.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate with MolForge

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Related Compounds

[(4S,6Z,9E,11E)-3-(acetyloxymethyl)-6,10-dimethyl-2,8-dioxo-4,5-dihydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
CID 132489971
Angeloylsenkyunolide F
CID 131752734
methyl 2-[2-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxoethyl]-6-oxopyran-3-yl]acetate
CID 73054901
Methyl 2-[2-[2-(3,7-dimethylocta-2,6-dienoxy)-2-oxoethyl]-6-oxopyran-3-yl]acetate
CID 162870635
[(1Z,2R)-1-(3-oxo-6,7-dihydro-2-benzofuran-1-ylidene)butan-2-yl] (Z)-2-methylbut-2-enoate
CID 162959141
11-angeloylsenkyunolide F
CID 11243195
methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate
CID 15867616
ethyl (2E)-2-(2-methyl-3,4-dihydro-2H-pyran-6-yl)-2-(5-oxooxolan-2-ylidene)acetate
CID 67891915
methyl (2E)-2-(2-methyl-3,4-dihydro-2H-pyran-6-yl)-2-(5-oxooxolan-2-ylidene)acetate
CID 67891918
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-(3-methyl-6-oxopyran-2-yl)acetate
CID 68112195
Diethyl 2-(5-methoxy-2,3-dihydrobenzofuran-6-yliden)-malonate
CID 69543719
1-(3-Oxo-6,7-dihydro-2-benzofuran-1-ylidene)butan-2-yl 2-methylbut-2-enoate
CID 72766262

Frequently Asked Questions

What is the IUPAC name of dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate?
The IUPAC name of dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate (CID 134866807) is dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate.
What is the SMILES notation for dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate?
The canonical SMILES for dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate is COC(=O)/C1=C(\C(=O)OC)C2C=C/C(=C3\CCCC\C3=C\C1)O2.
What is the InChIKey of dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate?
The InChIKey is WGAKKOKOLVOMCS-STHVMBQRSA-N. The full InChI is InChI=1S/C18H20O5/c1-21-17(19)13-8-7-11-5-3-4-6-12(11)14-9-10-15(23-14)16(13)18(20)22-2/h7,9-10,15H,3-6,8H2,1-2H3/b11-7-,14-12-,16-13-.
What are the key properties of dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate?
dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate has a molecular weight of 316.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1Z,7Z,10Z)-15-oxatricyclo[10.2.1.02,7]pentadeca-1,7,10,13-tetraene-10,11-dicarboxylate is sourced from PubChem (CID 134866807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).